3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

C10H20N4O2S — CID 60810084

IUPAC3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H20N4O2S/c1-5-14(6-8(2)3)17(15,16)9-7-13(4)12-10(9)11/h7-8H,5-6H2,1-4H3,(H2,11,12)
InChIKeyTXFSBHVYIBVNHV-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.67
Rot. Bonds5

About 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 60810084) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID60810084
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H20N4O2S/c1-5-14(6-8(2)3)17(15,16)9-7-13(4)12-10(9)11/h7-8H,5-6H2,1-4H3,(H2,11,12)
InChIKeyTXFSBHVYIBVNHV-UHFFFAOYSA-N
XLogP0.67
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 61139761
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808134
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 60807969
methyl 3-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140349
3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126800
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
5-amino-N-ethyl-N-(2-methylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80746593
5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102945892

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 60810084) is 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is CCN(CC(C)C)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is TXFSBHVYIBVNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-5-14(6-8(2)3)17(15,16)9-7-13(4)12-10(9)11/h7-8H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60810084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).